CHEBI:205802 - Herbarumin III

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Herbarumin III
ChEBI ID CHEBI:205802
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20O3
Net Charge 0
Average Mass 212.289
Monoisotopic Mass 212.14124
InChI InChI=1S/C12H20O3/c1-2-6-11-9-10(13)7-4-3-5-8-12(14)15-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3/b7-4+/t10-,11+/m0/s1
InChIKey IWZXZFNLDPFUKQ-NAJRYUOPSA-N
SMILES O=C1O[C@@H](C[C@@H](O)C=CCCC1)CCC
Metabolite of Species Details
Phoma herbarum (NCBI:txid73001) See: PubMed
ChEBI Ontology
Outgoing Herbarumin III (CHEBI:205802) is a oxacycle (CHEBI:38104)
IUPAC Name
(2R,4R,5E)-4-hydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Manual Xref Database
558794 ChemSpider
View more database links